4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

C9H9FN4O2S — CID 79028882

IUPAC4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H9FN4O2S/c1-6-11-9(13-12-6)14-17(15,16)8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyGOKOJAGKTKAAFV-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.05
Rot. Bonds3

About 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 79028882) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID79028882
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H9FN4O2S/c1-6-11-9(13-12-6)14-17(15,16)8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyGOKOJAGKTKAAFV-UHFFFAOYSA-N
XLogP1.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzenesulfonamide
CID 2340665
N-(5-Amino-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 13772883
3-[(2-fluorophenyl)disulfanyl]-5-methyl-1H-1,2,4-triazole
CID 66561923
N-[[5-amino-1-(4-fluorophenyl)sulfonyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 23602106
3-(cyanomethyl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 121567928
(2S)-1-[(4-fluorophenyl)sulfonyl]-2-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 9840233
2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine
CID 2340667
4-methyl-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide
CID 4382500
2-(Benzenesulfonyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 16439887
3-[3-(4-fluorophenyl)sulfonylpropylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 47073205
3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883202
3-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 79028882) is 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is GOKOJAGKTKAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c1-6-11-9(13-12-6)14-17(15,16)8-4-2-7(10)3-5-8/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79028882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).